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17733-68-5 | Benzene, (2-methylcyclohexyl)-
CAS No: 17733-68-5 Catalog No: AG00259I MDL No:
Product Description
Catalog Number:
AG00259I
Chemical Name:
Benzene, (2-methylcyclohexyl)-
CAS Number:
17733-68-5
Molecular Formula:
C13H18
Molecular Weight:
174.2820
IUPAC Name:
(2-methylcyclohexyl)benzene
InChI:
InChI=1S/C13H18/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3
InChI Key:
YFVAFSNSJVCBTE-UHFFFAOYSA-N
SMILES:
CC1CCCCC1c1ccccc1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.287g/mol
Monoisotopic Mass:
174.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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